SCHEMBL625741

SCHEMBL625741

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3nn4c(-c5cccc(OC(F)(F)F)c5)cnc4s3)C[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.45
DYRK1A Q13627 6/20 0.44
USP30 Q70CQ3 1/20 0.44
FYN P06241 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL625511 0.85 PIM1 (0.45) PIM1DYRK1AFYN
SCHEMBL625742 0.84 THRB (0.43) PIM1USP30
SCHEMBL623995 0.84 PIM1 (0.44) PIM1DYRK1AFYN
SCHEMBL625743 0.83 PIM1 (0.42) PIM1DYRK1AFYN
SCHEMBL623866 0.82 DYRK1A (0.48) PIM1DYRK1A
SCHEMBL624527 0.82 PIM1 (0.43) PIM1DYRK1A
SCHEMBL624016 0.80 PIM1 (0.49) PIM1
SCHEMBL627308 0.79 PIK3CA (0.49) USP30
SCHEMBL623872 0.79 FYN (0.52) PIM1FYN
SCHEMBL625034 0.79 PIM1 (0.54) PIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed